N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine

C17H27NO2 — CID 16777784

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
SMILESCCCOc1ccc(C(C)NC2CC2)cc1OCCC
InChIInChI=1S/C17H27NO2/c1-4-10-19-16-9-6-14(12-17(16)20-11-5-2)13(3)18-15-7-8-15/h6,9,12-13,15,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyGHRPCCRWTARWCA-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.08
Rot. Bonds9

About N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine

N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine (PubChem CID 16777784) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
PubChem CID16777784
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
SMILESCCCOc1ccc(C(C)NC2CC2)cc1OCCC
InChIInChI=1S/C17H27NO2/c1-4-10-19-16-9-6-14(12-17(16)20-11-5-2)13(3)18-15-7-8-15/h6,9,12-13,15,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyGHRPCCRWTARWCA-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
CID 83150104
4-[bromo(cyclobutyl)methyl]-1,2-dipropoxybenzene
CID 63440289
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine
CID 118313351
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine (CID 16777784) is N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine is CCCOc1ccc(C(C)NC2CC2)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is GHRPCCRWTARWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-19-16-9-6-14(12-17(16)20-11-5-2)13(3)18-15-7-8-15/h6,9,12-13,15,18H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine?
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 16777784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).